(1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide

C12H10O2S2 — CID 139055017

IUPAC(1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide
SMILESO=[S@@]1CC[S@@](=O)c2c1ccc1ccccc21
InChIInChI=1S/C12H10O2S2/c13-15-7-8-16(14)12-10-4-2-1-3-9(10)5-6-11(12)15/h1-6H,7-8H2/t15-,16-/m1/s1
InChIKeyTWJHYRJFDQCQMZ-HZPDHXFCSA-N
MW250.34 g/mol
LogP2.07
Rot. Bonds

About (1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide

(1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide (PubChem CID 139055017) has the molecular formula C12H10O2S2 and a molecular weight of 250.34 g/mol. Its IUPAC name is (1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide.

Molecular Properties

Compound Name(1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide
PubChem CID139055017
Molecular FormulaC12H10O2S2
Molecular Weight250.34 g/mol
Exact Mass250.01
IUPAC Name(1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide
SMILESO=[S@@]1CC[S@@](=O)c2c1ccc1ccccc21
InChIInChI=1S/C12H10O2S2/c13-15-7-8-16(14)12-10-4-2-1-3-9(10)5-6-11(12)15/h1-6H,7-8H2/t15-,16-/m1/s1
InChIKeyTWJHYRJFDQCQMZ-HZPDHXFCSA-N
XLogP2.07
TPSA34.14 Ų
H-Bond Donors
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 102

Analyze (1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

phenanthrene;phosphane
CID 161431298
phenanthrene;sulfane
CID 159172584
ethane;methane;phenanthrene
CID 144939263
ethane;methane;phenanthrene
CID 144938954
phenanthrene;phosphinous acid
CID 174826862
chrysene;iron
CID 157379031
phenanthrene;phosphenous acid
CID 174573488
isocyanic acid;phenanthrene
CID 172832976
cyclopenta-1,3-diene;phenanthrene
CID 159923928
benzo[c]phenanthrene;tris(triphenylene)
CID 157372160
(1S,3R)-1lambda4,3lambda4-benzodithiole 1,3-dioxide
CID 11891924
anthracene;naphthalene;phenanthrene
CID 158591187

Frequently Asked Questions

What is the IUPAC name of (1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide?
The IUPAC name of (1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide (CID 139055017) is (1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide.
What is the SMILES notation for (1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide?
The canonical SMILES for (1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide is O=[S@@]1CC[S@@](=O)c2c1ccc1ccccc21.
What is the InChIKey of (1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide?
The InChIKey is TWJHYRJFDQCQMZ-HZPDHXFCSA-N. The full InChI is InChI=1S/C12H10O2S2/c13-15-7-8-16(14)12-10-4-2-1-3-9(10)5-6-11(12)15/h1-6H,7-8H2/t15-,16-/m1/s1.
What are the key properties of (1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide?
(1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide has a molecular weight of 250.34 g/mol, XLogP of 2.07, 0 rotatable bonds, 0 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for (1R,4R)-2,3-dihydrobenzo[h][1,4]benzodithiine 1,4-dioxide is sourced from PubChem (CID 139055017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).